N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H22N4O5 — CID 4797042

IUPACN-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)NC(=O)NCc1ccco1)C2=O
InChIInChI=1S/C17H22N4O5/c1-11-5-2-3-7-17(11)14(23)21(16(25)20-17)10-13(22)19-15(24)18-9-12-6-4-8-26-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,20,25)(H2,18,19,22,24)
InChIKeyOYXJWJRKDQMNFU-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.11
Rot. Bonds4

About N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 4797042) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID4797042
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)NC(=O)NCc1ccco1)C2=O
InChIInChI=1S/C17H22N4O5/c1-11-5-2-3-7-17(11)14(23)21(16(25)20-17)10-13(22)19-15(24)18-9-12-6-4-8-26-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,20,25)(H2,18,19,22,24)
InChIKeyOYXJWJRKDQMNFU-UHFFFAOYSA-N
XLogP1.11
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 4790928
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 16301230
2-[1-(3,4-difluorophenyl)ethylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 16333723
N-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide
CID 663160
N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 663976
[(1R)-1-[[(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 137655738
N-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 4690796
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 645887

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 4797042) is N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCCCC12NC(=O)N(CC(=O)NC(=O)NCc1ccco1)C2=O.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is OYXJWJRKDQMNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-11-5-2-3-7-17(11)14(23)21(16(25)20-17)10-13(22)19-15(24)18-9-12-6-4-8-26-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,20,25)(H2,18,19,22,24).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 4797042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).